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ENAMINE-ZINC03253828

 MMsINC code: MMs01332306
Type: Neutral
Formula: C13H20N4
SMILES:   n1c(cc(nc1NNC=1CCCCCC=1)C)C
InChI:   InChI=1/C13H20N4/c1-10-9-11(2)15-13(14-10)17-16-12-7-5-3-4-6-8-12/h7,9,16H,3-6,8H2,1-2H3,(H,14,15,17)

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Potential Energy
Epot(MMFF94)=41.4218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.331 g/mol  logS: -2.5447  SlogP: 2.85794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390639  Sterimol/B1: 2.07575  Sterimol/B2: 2.97435  Sterimol/B3: 2.98237
  Sterimol/B4: 7.23647  Sterimol/L: 14.1895 
 
 Surface and Volume Properties
  Accessible surface: 492.587  Positive charged surface: 349.51  Negative charged surface: 143.077  Volume: 244.375
  Hydrophobic surface: 423.94  Hydrophilic surface: 68.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.